Vitas-M small molecule compound

(12aS)-6-(3-bromophenyl)-2-pentyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL002705
SMILES CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Br)[nH]c2c1cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H26BrN3O2 MW 480.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O2/c1-2-3-6-12-28-15-22(30)29-21(25(28)31)14-19-18-10-4-5-11-20(18)27-23(19)24(29)16-8-7-9-17(26)13-16/h4-5,7-11,13,21,24,27H,2-3,6,12,14-15H2,1H3/t21-,24?/m0/s1
InChIKey
RMFZKZAXNOBJHT-XEGCMXMBSA-N
Synonyms
956960-80-8
(12aS)2amyl6(3bromophenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(12aS)6(3bromophenyl)2pentyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3bromophenyl)2pentyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
956960808
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)Br)(nH)c2c1cccc2
CCCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC(=CC=C4)Br)NC5=CC=CC=C35
InChI=1SC25H26BrN3O2c123612281522(30)2921(25(28)31)14191810451120(18)2723(19)24(29)1687917(26)1316h4571113212427H236121415H21H3t2124?m0s1
MFCD05674740
ZINC000002120086
ZINC000002120087

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Available files

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